2-methyl-1,3-thiazole-4-carbaldehyde

C5H5NOS — CID 2763191

IUPAC2-methyl-1,3-thiazole-4-carbaldehyde
SMILESCc1nc(C=O)cs1
InChIInChI=1S/C5H5NOS/c1-4-6-5(2-7)3-8-4/h2-3H,1H3
InChIKeyAEHWVNPVEUVPMT-UHFFFAOYSA-N
MW127.17 g/mol
LogP1.26
Rot. Bonds1

About 2-methyl-1,3-thiazole-4-carbaldehyde

2-methyl-1,3-thiazole-4-carbaldehyde (PubChem CID 2763191) has the molecular formula C5H5NOS and a molecular weight of 127.17 g/mol. Its IUPAC name is 2-methyl-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-methyl-1,3-thiazole-4-carbaldehyde
PubChem CID2763191
Molecular FormulaC5H5NOS
Molecular Weight127.17 g/mol
Exact Mass127.01
IUPAC Name2-methyl-1,3-thiazole-4-carbaldehyde
SMILESCc1nc(C=O)cs1
InChIInChI=1S/C5H5NOS/c1-4-6-5(2-7)3-8-4/h2-3H,1H3
InChIKeyAEHWVNPVEUVPMT-UHFFFAOYSA-N
XLogP1.26
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.17
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-methyl-1,3-thiazole-4-carbaldehyde (CID 2763191) is 2-methyl-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-methyl-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-methyl-1,3-thiazole-4-carbaldehyde is Cc1nc(C=O)cs1.
What is the InChIKey of 2-methyl-1,3-thiazole-4-carbaldehyde?
The InChIKey is AEHWVNPVEUVPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NOS/c1-4-6-5(2-7)3-8-4/h2-3H,1H3.
What are the key properties of 2-methyl-1,3-thiazole-4-carbaldehyde?
2-methyl-1,3-thiazole-4-carbaldehyde has a molecular weight of 127.17 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 2763191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).